⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23016996 | 0.81 | ALOX5 (0.36) | — | |
| SCHEMBL24352664 | 0.80 | ALOX5 (0.30) | — | |
| SCHEMBL18963105 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL20018938 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL15137625 | 0.76 | — | — | |
| SCHEMBL25955635 | 0.76 | — | — | |
| SCHEMBL20462321 | 0.74 | — | — | |
| SCHEMBL15137744 | 0.74 | ALOX5 (0.35) | — | |
| SCHEMBL21443943 | 0.74 | PARP14 (0.33) | — | |
| SCHEMBL26012484 | 0.72 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3782984-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE | Samsung Display Co., Ltd. (KR) | 2021-02-24 | — | — | EP | disclosed |